| 6a73_ligand | |
| RDKit 3D | |
| 42 42 0 0 0 0 0 0 0 0999 V2000 | |
| 1.2966 0.2714 -0.5196 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 0.4527 1.4508 -0.0169 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -1.0384 1.2070 -0.2930 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| -1.5332 -0.1681 0.1754 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -0.6244 -1.3268 -0.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 0.8477 -1.0621 0.0838 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.6577 0.4877 -0.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7729 -0.0439 -1.1732 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 5.0212 -0.3429 -0.2293 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 3.3775 -1.2017 -2.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2323 1.2738 -1.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8594 2.5943 -0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6007 3.8260 -0.0719 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 2.6446 3.1812 0.9486 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 0.4965 4.4091 0.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2096 4.8441 -0.9691 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8292 2.1623 0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4455 3.4249 -0.3321 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -1.5287 4.5754 -0.5765 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -3.1867 2.8439 -1.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6865 3.7971 0.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8164 -0.3710 -0.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9659 -1.1147 0.3869 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| -4.0423 -0.8905 1.8538 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -5.2883 -0.6953 -0.3992 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8383 -2.6571 -0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0732 -2.4634 0.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8735 -3.9133 -0.1334 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 0.5514 -4.2340 -0.4442 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -1.5541 -4.8786 0.9349 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9044 -3.9117 -1.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0145 -1.0137 1.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9804 -2.0459 2.2423 P 0 0 0 0 0 6 0 0 0 0 0 0 | |
| 3.4194 -1.9136 1.5458 O 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.1274 -1.8328 3.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5343 -3.5221 1.8436 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2208 0.2331 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6199 1.6398 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2331 1.3205 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6648 -0.1544 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7461 -1.5197 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4699 -1.8689 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 1 7 1 0 | |
| 2 3 1 0 | |
| 2 12 1 0 | |
| 3 4 1 0 | |
| 3 17 1 0 | |
| 4 5 1 0 | |
| 4 22 1 0 | |
| 5 6 1 0 | |
| 5 27 1 0 | |
| 6 32 1 0 | |
| 7 8 1 0 | |
| 8 9 1 0 | |
| 8 10 2 0 | |
| 8 11 2 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 13 15 2 0 | |
| 13 16 2 0 | |
| 17 18 1 0 | |
| 18 19 1 0 | |
| 18 20 2 0 | |
| 18 21 2 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 23 25 2 0 | |
| 23 26 2 0 | |
| 27 28 1 0 | |
| 28 29 1 0 | |
| 28 30 2 0 | |
| 28 31 2 0 | |
| 32 33 1 0 | |
| 33 34 1 0 | |
| 33 35 2 0 | |
| 33 36 2 0 | |
| 1 37 1 6 | |
| 2 38 1 1 | |
| 3 39 1 6 | |
| 4 40 1 1 | |
| 5 41 1 6 | |
| 6 42 1 6 | |
| M CHG 8 8 1 9 -1 13 1 14 -1 18 1 19 -1 23 1 24 -1 | |
| M CHG 4 28 1 29 -1 33 1 34 -1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |